6533b7d6fe1ef96bd12665d8
RESEARCH PRODUCT
Corrigendum: An Unusually Small Singlet-Triplet Gap in a Quinoidal 1,6-Methano[10]annulene Resulting from Baird's 4n π-Electron Triplet Stabilization.
Carlos J. Gómez-garcíaBenjamin C. StreifelJuan CasadoJosé L. ZafraJohn D. TovarGuzmán L. Espejosubject
Intersystem crossingDiradicalChemical physicsChemistryExcited stateMoleculeAromaticityGeneral ChemistryElectronSinglet stateAnnulenePhotochemistryCatalysisdescription
Within the continuum of π-extended quinoidal electronic structures exist molecules that by design can support open-shell diradical structures. The prevailing molecular design criteria for such structures involve proaromatic nature that evolves aromaticity in open-shell diradical resonance structures. A new diradical species built upon a quinoidal methano[10]annulene unit is synthesized and spectroscopically evaluated. The requisite intersystem crossing in the open-shell structure is accompanied by structural reorganization from a contorted Mobius aromatic-like shape in S0 to a more planar shape in the Huckel aromatic-like T1. This stability was attributed to Baird’s Rule which dictates the aromaticity of 4n π-electron triplet excited states.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2016-08-01 | Angewandte Chemie (International ed. in English) |